SCHEMBL2176341

SCHEMBL2176341

CCC(c1cccc(OC)c1)C(C)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
CASR P41180 3/20 0.44
SLC22A1 O15245 1/20 0.42
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHEK1 O14757 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16871235 1.00 AOC3 (0.47) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL16871396 0.89 CASR (0.48) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL16871059 0.89 CASR (0.48) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL11618270 0.85 AOC3 (0.51) AOC3L3MBTL1TAAR1CASR
SCHEMBL2318103 0.84 AOC3 (0.47) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL15096064 0.84 CASR (0.44) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL2359719 0.84 AOC3 (0.47) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL15474083 0.84 AOC3 (0.47) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL15121380 0.84 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRSLC22A1
SCHEMBL18320847 0.83 AOC3 (0.50) AOC3L3MBTL1TAAR1CASR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS SIEGFRIED AG (CH) 2015-07-02 US disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS CYP3A43, CYP1A2, CYP2C8 AOC3 124/4885L3MBTL1 1979/4885TAAR1 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.